5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione

C17H12N2O3 — CID 11011776

IUPAC5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H12N2O3/c20-15(12-4-2-1-3-5-12)13-8-6-11(7-9-13)14-10-18-17(22)19-16(14)21/h1-10H,(H2,18,19,21,22)
InChIKeyARALWWMZZQXWJI-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.96
Rot. Bonds3

About 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione

5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 11011776) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID11011776
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione
SMILESO=C(c1ccccc1)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H12N2O3/c20-15(12-4-2-1-3-5-12)13-8-6-11(7-9-13)14-10-18-17(22)19-16(14)21/h1-10H,(H2,18,19,21,22)
InChIKeyARALWWMZZQXWJI-UHFFFAOYSA-N
XLogP1.96
TPSA82.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione (CID 11011776) is 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione is O=C(c1ccccc1)c1ccc(-c2c[nH]c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ARALWWMZZQXWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-15(12-4-2-1-3-5-12)13-8-6-11(7-9-13)14-10-18-17(22)19-16(14)21/h1-10H,(H2,18,19,21,22).
What are the key properties of 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione?
5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 292.29 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzoylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 11011776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).